N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide

C75H53F4N21O8 — CID 160958852

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc2ccccc2c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccncc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C22H17N5O2.C19H15N5O2.C18H11F2N5O3.C16H10F2N6O/c1-29-18-11-10-13-6-2-3-7-14(13)19(18)22(28)26-17-12-23-27-20(17)21-24-15-8-4-5-9-16(15)25-21;25-19(12-5-3-4-11-8-9-26-17(11)12)23-15-10-20-24-16(15)18-21-13-6-1-2-7-14(13)22-18;19-18(20)27-13-7-3-4-9(15(13)28-18)17(26)24-12-8-21-25-14(12)16-22-10-5-1-2-6-11(10)23-16;17-8-2-1-3-9(18)13(8)16(25)23-12-7-20-24-14(12)15-21-10-4-5-19-6-11(10)22-15/h2-12H,1H3,(H,23,27)(H,24,25)(H,26,28);1-7,10H,8-9H2,(H,20,24)(H,21,22)(H,23,25);1-8H,(H,21,25)(H,22,23)(H,24,26);1-7H,(H,20,24)(H,21,22)(H,23,25)
InChIKeySWTFRENLDPBHAZ-UHFFFAOYSA-N
MW1452.38 g/mol
LogP13.91
Rot. Bonds13

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide (PubChem CID 160958852) has the molecular formula C75H53F4N21O8 and a molecular weight of 1452.38 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide
PubChem CID160958852
Molecular FormulaC75H53F4N21O8
Molecular Weight1452.38 g/mol
Exact Mass1451.43
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide
SMILESCOc1ccc2ccccc2c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccncc2[nH]1)c1c(F)cccc1F
InChIInChI=1S/C22H17N5O2.C19H15N5O2.C18H11F2N5O3.C16H10F2N6O/c1-29-18-11-10-13-6-2-3-7-14(13)19(18)22(28)26-17-12-23-27-20(17)21-24-15-8-4-5-9-16(15)25-21;25-19(12-5-3-4-11-8-9-26-17(11)12)23-15-10-20-24-16(15)18-21-13-6-1-2-7-14(13)22-18;19-18(20)27-13-7-3-4-9(15(13)28-18)17(26)24-12-8-21-25-14(12)16-22-10-5-1-2-6-11(10)23-16;17-8-2-1-3-9(18)13(8)16(25)23-12-7-20-24-14(12)15-21-10-4-5-19-6-11(10)22-15/h2-12H,1H3,(H,23,27)(H,24,25)(H,26,28);1-7,10H,8-9H2,(H,20,24)(H,21,22)(H,23,25);1-8H,(H,21,25)(H,22,23)(H,24,26);1-7H,(H,20,24)(H,21,22)(H,23,25)
InChIKeySWTFRENLDPBHAZ-UHFFFAOYSA-N
XLogP13.91
TPSA395.65 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001452.38
LogP ≤ 513.91
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide (CID 160958852) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide is COc1ccc2ccccc2c1C(=O)Nc1cn[nH]c1-c1nc2ccccc2[nH]1.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OC(F)(F)O2.O=C(Nc1cn[nH]c1-c1nc2ccccc2[nH]1)c1cccc2c1OCC2.O=C(Nc1cn[nH]c1-c1nc2ccncc2[nH]1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is SWTFRENLDPBHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2.C19H15N5O2.C18H11F2N5O3.C16H10F2N6O/c1-29-18-11-10-13-6-2-3-7-14(13)19(18)22(28)26-17-12-23-27-20(17)21-24-15-8-4-5-9-16(15)25-21;25-19(12-5-3-4-11-8-9-26-17(11)12)23-15-10-20-24-16(15)18-21-13-6-1-2-7-14(13)22-18;19-18(20)27-13-7-3-4-9(15(13)28-18)17(26)24-12-8-21-25-14(12)16-22-10-5-1-2-6-11(10)23-16;17-8-2-1-3-9(18)13(8)16(25)23-12-7-20-24-14(12)15-21-10-4-5-19-6-11(10)22-15/h2-12H,1H3,(H,23,27)(H,24,25)(H,26,28);1-7,10H,8-9H2,(H,20,24)(H,21,22)(H,23,25);1-8H,(H,21,25)(H,22,23)(H,24,26);1-7H,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 1452.38 g/mol, XLogP of 13.91, 13 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-4-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxynaphthalene-1-carboxamide;2,6-difluoro-N-[5-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 160958852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).